Zobrazeno 1 - 1
of 1
pro vyhledávání: '"Maria M. Barlukova"'
Autor:
Irina V. Beregovaya, Yuri N. Molin, V. A. Bagryansky, Maria M. Barlukova, L.N. Shchegoleva, Victor P. Vysotsky
Publikováno v:
The Journal of Physical Chemistry A. 109:4404-4409
Ab initio UMP2, RMP2, DFT/UB3LYP, and CBS-QB3 calculations have shown that the adiabatic potential energy surface (PES) of the 1,2,3-trifluorobenzene radical anion is a pseudorotation surface formed by nonplanar stationary structures. The low (approx